Vitas-M small molecule compound
(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
Catalog ID
STL318327
SMILES COc1cccc(c1)c1nc(c(s1)C(=O)N1CCC2(C(C1)CCCC2)O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-14-18(27-19(22-14)15-6-5-8-17(12-15)26-2)20(24)23-11-10-21(25)9-4-3-7-16(21)13-23/h5-6,8,12,16,25H,3-4,7,9-11,13H2,1-2H3InChIKey
IMVLQSOULXYVFT-UHFFFAOYSA-NSynonyms
((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)(2(3methoxyphenyl)4methylthiazol5yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(2(3methoxyphenyl)4methyl13thiazol5yl)methanone
(4ahydroxyoctahydroisoquinolin2(1H)yl)(2(3methoxyphenyl)4methyl13thiazol5yl)methanone
CC1=C(SC(=N1)C2=CC(=CC=C2)OC)C(=O)N3CCC4(CCCCC4C3)O
COc1cccc(c1)c1nc(c(s1)C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O)C
InChI=1SC21H26N2O3Sc11418(2719(2214)1565817(1215)262)20(24)23111021(25)943716(21)1323h568121625H34791113H212H3
MFCD28031221
ZINC000079477181
ZINC000095479206
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